| SpectraBase Compound ID | dChNYjGDJR |
|---|---|
| InChI | InChI=1S/C10H7NOS/c11-8-13-7-6-10(12)9-4-2-1-3-5-9/h1-7H/b7-6- |
| InChIKey | JOWGYKSVRDSZSJ-SREVYHEPSA-N |
| Mol Weight | 189.23 g/mol |
| Molecular Formula | C10H7NOS |
| Exact Mass | 189.024835 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HIvXYxD6JWs |
|---|---|
| Name | Thiocyanic acid, cis-2-benzoylvinyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.024835022 u |
| Formula | C10H7NOS |
| InChI | InChI=1S/C10H7NOS/c11-8-13-7-6-10(12)9-4-2-1-3-5-9/h1-7H/b7-6- |
| InChIKey | JOWGYKSVRDSZSJ-SREVYHEPSA-N |
| Molecular Weight | 189.232 g/mol |
| SMILES | C=1C(=CC=CC1)C(=O)\C=C/SC#N |
| Spectrum/Structure Validation Score (Raman) | 0.977771 |